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89813-98-9 | 4-Oxa-1,2-diazaspiro[4.5]dec-2-ene, 1-acetyl-3-(3-pyridinyl)-
CAS No: 89813-98-9 Catalog No: AG003Y14 MDL No:
Product Description
Catalog Number:
AG003Y14
Chemical Name:
4-Oxa-1,2-diazaspiro[4.5]dec-2-ene, 1-acetyl-3-(3-pyridinyl)-
CAS Number:
89813-98-9
Molecular Formula:
C14H17N3O2
Molecular Weight:
259.3037
IUPAC Name:
1-(2-pyridin-3-yl-1-oxa-3,4-diazaspiro[4.5]dec-2-en-4-yl)ethanone
InChI:
InChI=1S/C14H17N3O2/c1-11(18)17-14(7-3-2-4-8-14)19-13(16-17)12-6-5-9-15-10-12/h5-6,9-10H,2-4,7-8H2,1H3
InChI Key:
FTWNVPIWCULYKU-UHFFFAOYSA-N
SMILES:
CC(=O)N1N=C(OC21CCCCC2)c1cccnc1
Properties
Complexity:
388
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
259.132g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
259.309g/mol
Monoisotopic Mass:
259.132g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
54.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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